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Compound Detail

CHEMBL1253917

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COCc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)c2n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1253917
Phase Preclinical
Structure Type MOL
InChI Key OGXAOOVPORQDLT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

505.9
MW (Da)
6.22
ALogP
6
HBA
2
HBD
90.3
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClF3N5O3
MW 505.88
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.70

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 14.0 nM 7.85 Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells 20833551

Literature References

PubMed DOI Target Context # Activities
20833551 10.1016/j.bmc.2010.08.042 Vascular endothelial growth factor receptor 2 1
20833551 10.1016/j.bmc.2010.08.042 Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine